but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium

C13H20N2P+ — CID 59967254

IUPACbut-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium
SMILESC=NC=C[P+](C=CC)(C=CCC)C=CN=C
InChIInChI=1S/C13H20N2P/c1-5-7-11-16(10-6-2,12-8-14-3)13-9-15-4/h6-13H,3-5H2,1-2H3/q+1
InChIKeyWVHWDGLHZLZYQI-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.80
Rot. Bonds7

About but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium

but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium (PubChem CID 59967254) has the molecular formula C13H20N2P+ and a molecular weight of 235.29 g/mol. Its IUPAC name is but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium.

Molecular Properties

Compound Namebut-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium
PubChem CID59967254
Molecular FormulaC13H20N2P+
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Namebut-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium
SMILESC=NC=C[P+](C=CC)(C=CCC)C=CN=C
InChIInChI=1S/C13H20N2P/c1-5-7-11-16(10-6-2,12-8-14-3)13-9-15-4/h6-13H,3-5H2,1-2H3/q+1
InChIKeyWVHWDGLHZLZYQI-UHFFFAOYSA-N
XLogP4.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-hexa-1,3-dienylmethanimine
CID 123963868
CID 161257167
CID 161257167
ethane;propane;N-[(Z)-prop-1-enyl]methanimine
CID 178138060
4-prop-1-en-2-ylocta-2,5-diene
CID 141105278
N,N-dimethylethanamine;N-[(Z)-prop-1-enyl]methanimine
CID 143693608
4,4,5-trimethylnona-2,6-diene
CID 173213239
ethane;ethene;(E)-pent-2-ene
CID 154666573
1-chloropent-2-en-1-ol
CID 141457215
4,7-dimethyldodeca-2,6,9-triene
CID 123962716
(E)-but-2-ene;(Z)-pent-2-ene
CID 143108402
germane;pent-2-ene
CID 174678272
CID 162303422
CID 162303422

Frequently Asked Questions

What is the IUPAC name of but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium?
The IUPAC name of but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium (CID 59967254) is but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium.
What is the SMILES notation for but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium?
The canonical SMILES for but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium is C=NC=C[P+](C=CC)(C=CCC)C=CN=C.
What is the InChIKey of but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium?
The InChIKey is WVHWDGLHZLZYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2P/c1-5-7-11-16(10-6-2,12-8-14-3)13-9-15-4/h6-13H,3-5H2,1-2H3/q+1.
What are the key properties of but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium?
but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium has a molecular weight of 235.29 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium is sourced from PubChem (CID 59967254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).